3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione

C19H15FN2O4S — CID 91814780

IUPAC3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(N2C(=O)CSC2=O)C1
InChIInChI=1S/C19H15FN2O4S/c20-13-4-6-15(7-5-13)26-16-3-1-2-12(8-16)18(24)21-9-14(10-21)22-17(23)11-27-19(22)25/h1-8,14H,9-11H2
InChIKeyQDZDSQSJAKCIBL-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.14
Rot. Bonds4

About 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione

3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione (PubChem CID 91814780) has the molecular formula C19H15FN2O4S and a molecular weight of 386.40 g/mol. Its IUPAC name is 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
PubChem CID91814780
Molecular FormulaC19H15FN2O4S
Molecular Weight386.40 g/mol
Exact Mass386.07
IUPAC Name3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione
SMILESO=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(N2C(=O)CSC2=O)C1
InChIInChI=1S/C19H15FN2O4S/c20-13-4-6-15(7-5-13)26-16-3-1-2-12(8-16)18(24)21-9-14(10-21)22-17(23)11-27-19(22)25/h1-8,14H,9-11H2
InChIKeyQDZDSQSJAKCIBL-UHFFFAOYSA-N
XLogP3.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-fluorophenoxy)phenyl]-[3-(triazol-2-yl)azetidin-1-yl]methanone
CID 131701911
3-[1-(4-methoxybenzoyl)azetidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 121155024
N-[3-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide
CID 121155112
[3-(4-fluorophenoxy)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90586932
3-[1-(3-methoxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017220
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(3-phenoxyphenyl)methanone
CID 120655666
3-[1-(3-pyridin-2-yloxybenzoyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017262
(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)-[3-(4-fluorophenoxy)phenyl]methanone
CID 119104305
[3-(4-fluorophenoxy)phenyl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334469
[3-(aminomethyl)azetidin-1-yl]-(3-phenoxyphenyl)methanone
CID 71730904
(3S,4S)-1-(3-phenoxybenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951795
3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 121155297

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione (CID 91814780) is 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione is O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CC(N2C(=O)CSC2=O)C1.
What is the InChIKey of 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
The InChIKey is QDZDSQSJAKCIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O4S/c20-13-4-6-15(7-5-13)26-16-3-1-2-12(8-16)18(24)21-9-14(10-21)22-17(23)11-27-19(22)25/h1-8,14H,9-11H2.
What are the key properties of 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione?
3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione has a molecular weight of 386.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(4-fluorophenoxy)benzoyl]azetidin-3-yl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 91814780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).